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Valeramide, 5-phenyl-N-2-ethylhexyl-

View entire compound with spectra: 1 NMR, and 1 FTIR

Valeramide, 5-phenyl-N-2-ethylhexyl-
SpectraBase Compound ID CdMR7acPQZ0
InChI InChI=1S/C19H31NO/c1-3-5-11-17(4-2)16-20-19(21)15-10-9-14-18-12-7-6-8-13-18/h6-8,12-13,17H,3-5,9-11,14-16H2,1-2H3,(H,20,21)
InChIKey JJQZZOLIXOPOGZ-UHFFFAOYSA-N
Mol Weight 289.46 g/mol
Molecular Formula C19H31NO
Exact Mass 289.240565 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5CrEsX9IGYQ
Name Valeramide, 5-phenyl-N-2-ethylhexyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 289.240564621 u
Formula C19H31NO
InChI InChI=1S/C19H31NO/c1-3-5-11-17(4-2)16-20-19(21)15-10-9-14-18-12-7-6-8-13-18/h6-8,12-13,17H,3-5,9-11,14-16H2,1-2H3,(H,20,21)
InChIKey JJQZZOLIXOPOGZ-UHFFFAOYSA-N
Molecular Weight 289.463 g/mol
SMILES C(=O)(NCC(CCCC)CC)CCCCC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.918386